SCHEMBL6154281

SCHEMBL6154281

CCOc1cccc(-c2nnc(Nc3cccc(Br)c3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 3/20 0.56
ROCK1 Q13464 2/20 0.47
ROCK2 O75116 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
USP2 O75604 1/20 0.47
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
FBP1 P09467 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6153968 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10ROCK1
SCHEMBL6153927 0.87 ALDH1A1 (0.52) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154211 0.85 NOTUM (0.54) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6153921 0.84 NOTUM (0.53) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154672 0.83 GUSB (0.61) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6153577 0.82 NOTUM (0.65) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154361 0.81 KDM4E (0.60) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6156315 0.81 ALDH1A1 (0.54) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154585 0.80 NOTUM (0.53) NOTUMKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6154820 0.80 PIK3CD (0.46) HSD17B10ROCK1ROCK2POLBPIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP NOTUM 1783/4885KDM4E 1133/4885ALDH1A1 961/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.